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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamic in situ imaging of methane hydrate formation in coal media

Fast 3D X-ray imaging has proved to provide crucial insights into multi-phase dynamic processes in various geomaterials. In particular, many in situ imaging experiments have been made to study gas-hydrate formation in porous sandy samples. Such imaging is challenging for the methane gas-hydrate formation in coal samples because of the coal micro-porosity structure and lower X-ray contrast. Here we present results of the first dynamic in situ micro-computed tomography experiment of methane-hydrate formation in coal samples. Synchrotron phase-contrast tomography techniques allowed to achieve necessary contrast levels to separate all the materials of interest (gas, water, coal, and gas hydrate) in reconstructed images with high spatial and temporal resolution. The imaging results are compared to the ones from a similar tomographic experiment with sand samples. Methane-hydrate formation is accompanied by the water movements caused by cryogenic water suction that happens in sequences of short fast movements with longer equilibrium states in between. Only one type of the hydrate formation was observed in coal (growth as shells on grain boundaries) as opposed to three types in sand (shells, growth into gas pockets, and inside water volumes). In particular, this leads to a slower hydrateformation speed in coal. For the coal sample, we also observed water extraction from grains, and interpreted it as competitive sorption of methane. Lastly, we visualized the dynamic behavior of this water extraction via microchannels inside the coal grains, and performed nano-tomography imaging of these channels for a better understanding of this phenomenon.

58 GEOSCIENCES↗
DOE OSTI2021

A molecular beam and computational study on the barrierless gas phase formation of (iso)quinoline in low temperature extraterrestrial environments

Despite remarkable progress toward the understanding of the formation pathways leading to polycyclic aromatic hydrocarbons (PAHs) in combustion systems and in deep space, the complex reaction pathways leading to nitrogen-substituted PAHs (NPAHs) at low temperatures of molecular clouds and hydrocarbon-rich, nitrogen-containing atmospheres of planets and their moons like Titan have remained largely obscure. Here, we demonstrate through laboratory experiments and computations that the simplest prototype of NPAHs – quinoline and isoquinoline (C 9 H 7 N) – can be synthesized via rapid and de-facto barrier-less reactions involving o-, m- and p-pyridinyl radicals (C 5 H 4 N˙) with vinylacetylene (C 4 H 4 ) under low-temperature conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

CP violation searches and distributed computing development with the Belle II Experiment at the University of Mississippi and Brookhaven National Laboratory (Final Report)

This report reflects the work performed at the University of Mississippi under the support of DOE EPSCoR grant DE‐SC0021274 during the period of September 2020 through August 2024, including a one-year, no-cost extension. A summary of the research outcomes is given, with reference to the project goals as stated in the proposal. This successful project supported the mission of the DOE High Energy Physics program by leveraging the complimentary expertise of researchers at the University of Mississippi and Brookhaven National Lab to search for CP violation in charmed baryon decays using data from the Belle II experiment and to provide vital support for Belle II distributed computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1998

Evaluation of Methods for Multidisciplinary Design Optimization (MDO)

The NASA Langley Multidisciplinary Design Optimization (MDO) method evaluation study seeks to arrive at a set of guidelines for using promising MDO methods by accumulating and analyzing computational data for such methods. The data are collected by conducting a series of reproducible experiments. This report documents all computational experiments conducted in Phase I of the study. This report is a companion to the paper titled Initial Results of an MDO Method Evaluation Study by N. M. Alexandrov and S. Kodiyalam (AIAA-98-4884).

Kodiyalam, Srinivas↗
DOE OSTI2017

Future Research Needed to Study the Response of an Explosive Assembly to Mechanical Insults

HE ignition caused by shear localization is the principal concern for safety analyses of postulated mechanical insults to explosive assemblies. Although prompt detonation from shock is certainly a concern, insults that lead to prompt detonation are associated with high velocity, and correspondingly rare. For high-density HMX assemblies, an impact speed (by a steel object) of 400 m/s is needed to develop a detonation in a run distance less than 30 mm. To achieve a steady plane shock, which results in the shortest run distance to detonation for a given peak pressure, the impactor diameter must exceed 60 mm, and thickness approach 20 mm. Thinner plates and/or smaller diameter ones require even higher impact velocity. Ignitions from shear localization, however, have been observed from impacts less than 50 m/s in Steven tests, less than 30 m/s from spigot impact tests, and less than 10 m/s from various drop tests. This lower velocity range is much frequent in postulated mechanical insults. Preliminary computer simulations and analyses of a variety of such tests have suggested that although each is accompanied by shear localization, there are differing detailed mechanisms at work that cause the ignitions. We identify those mechanisms that may be at work in a variety of such tests, and suggest how models of shear ignition, such as HERMES, may be revised and calibrated to conform to experiment. We suggest combining additional experiments with computer simulations and model development to begin confirm or uncover mechanisms that may be at work in a specific postulated event.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Unsteady airloads due to separated flow on airfoils and wings

Experimental and computational studies of airloads due to separated flows over airfoils and wings conducted at the NASA Langley Research Center are surveyed. Results are presented for cases involving local flow separation such as shock-induced separation, for the initiation of leading-edge vortex flows, and for cases involving unsteady airloads due to flows separating over remote aircraft components. Good correlation is obtained between experiment and computation for cases of locally separating flow and steady computations of vortex flow over delta wings and complex forebody geometries are shown. Physical flow modeling issues and computational requirements for the case of vertical tail buffeting are developed.

Edwards, John W.↗
NASA NTRS1990

Unsteady airloads due to separated flow on airfoils and wings

Experimental and computational studies of airloads due to separated flows over airfoils and wings conducted at the NASA Langley Research Center are surveyed. Results are presented for cases involving local flow separation such as shock-induced separation, for the initiation of leading-edge vortex flows, and for cases involving unsteady airloads due to flows separating over remote aircraft components. Good correlation is obtained between experiment and computation for cases of locally separating flow and steady computations of vortex flow over delta wings and complex forebody geometries are shown. Physical flow modeling issues and computational requirements for the case of vertical tail buffeting are developed.

Edwards, John W.↗
DOE OSTI2019

ASCR Workshop on In Situ Data Management

In January 2019, the U.S. Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions for in situ data management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing system, cooperating toward a common objective. The workshop revealed two primary, interdependent motivations for processing and managing data in situ. The first motivation is that the in situ methodology enables scientific discovery from a broad range of data sources over a wide scale of computing platforms: leadership-class systems, clusters, clouds, workstations, and embedded devices at the edge. The successful development of ISDM capabilities will benefit real-time decision-making, design optimization, and data-driven scientific discovery. The second motivation is the need to decrease data volumes. ISDM can make critical contributions to managing large data volumes from computations and experiments to minimize data movement, save storage space, and boost resource efficiency, often while simultaneously increasing scientific precision.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS1973

Some effects of surface anomalies in a global general circulation model.

The Mintz-Arakawa two-level general circulation model has been used in a series of experiments to compute the response of the atmosphere to certain persistent sea-surface temperature anomalies and to changes in the position of the continental Northern Hemisphere snow line over periods up to 90 days. Results are shown in terms of differences between anomaly and control histories are revealed by global, 30-day mean sea-level pressure maps, and time series of three regional indices of synoptic activity. The experiments show significant interhemispheric effects after about 1 month, phase shifts of 1 to 2 weeks in major cyclone developments, stronger reactions to sea-temperature anomalies in winter than in summer, and marked influence of the snow line on the winter monsoonal pressure difference between the continents and the North Atlantic Ocean.

Spar, J.↗
NASA NTRS1994

Arctic ocean radiative fluxes and cloud forcing estimated from the ISCCP C2 cloud dataset, 1983-1990

Radiative fluxes and cloud forcings for the ocean areas of the Arctic are computed from the monthly cloud product of the International Satellite Cloud Climatology Project (ISCCP) for 1983-90. Spatially averaged short-wave fluxes are compared well with climatological values, while downwelling longwave fluxes are significantly lower. This is probably due to the fact that the ISCCP cloud amounts are underestimates. Top-of-the-atmosphere radiative fluxes are in excellent agreement with measurements from the Earth Radiation Budget Experiment (ERBE). Computed cloud forcings indicate that clouds have a warming effect at the surface and at the top of the atmosphere during winter and a cooling effect during summer. The net radiative effect of clouds is larger at the surface during winter but greater at the top of the atmosphere during summer. Overall the net radiative effect of clouds at the top of the atmosphere is one of cooling. This is in contrast to a previous result from ERBE data showing arctic cloud forcings have a net warming effect. Sensitivities to errors in input parameters are generally greater during winter with cloud amount being the most important paarameter. During summer the surface radiation balance is most sensitive to errors in the measurements of surface reflectance. The results are encouraging, but the estimated error of 20 W/sq m in surface net radiative fluxes is too large, given that estimates of the net radiative warming effect due to a doubling of CO2 are on the order of 4 W/sq m. Because it is difficult to determine the accuracy of results with existing in situ observations, it is recommended that the development of improved algorithms for the retrieval of surface radiative properties be accompanied by the simultaneous assembly of validation datasets.

Schweiger, Axel J.↗
DOE OSTI2017

Arc Parameter Modeling (Arc Breakdown Experiments and Modeling: Confined Geometries and Alternate Gap Materials)

Sandia Nationa.l Laboratories (SNL) and The Boeing Company (Boeing) collaborated on this PTS to develop the capability to predict thermal and electrical characteristics of short arcs that may appear in equipment subjected to transient currents of hundreds or thousands of amperes. The final tasks of this CRADA included experiments and computer simulations used to investigate the effect of an arc breakdown between two planar electrodes and confined by various potting materials. The arc is generated by a current waveform with a rise of 8 μs and a 20 μs fall time. Voltage, current and light emissions are recorded. The developing shock wave is observed with an optical fiber embedded in the potting material and recorded using a photonic Doppler velocimetry (PDV) diagnostic system. The experiments were modeled using the ALEGRA-MHD simulation code and comparisons are made between the experiments and simulations. This product contains Protected CRADA Information which was produced December 2015 under CRADA No. 1651. l 5 and is not to be further disclosed for a period of 5 years from the date it was produced except as expressly provided for in the CRADA. Further dissemination only as authorized by the originating partners: the Boeing Company and Sandia National Laboratories Radiation Sciences Center, or higher U.S. Department of Energy programmatic authority. Please note that the project leads from both SNL and Boeing have all retired or left for other reasons at the time of the creation of this document. The final project manager collected information for this document from the final proposal and the final report.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Increasing Capacity in Disordered Rocksalt Cathodes by Mg Doping

Using both computations and experiments, we demonstrate that the performance of Li-excess cation-disordered rocksalt cathodes can be improved by Mg substitution. Furthermore we find that Mg reduces the amount of Li in the compound that is strongly bound to F and thereby increases the capacity. This enables the use of fluorination as a tool to improve stability of the compounds without significant loss of capacity. Mg emerged as the most optimal substitution element from a systematic computational study aimed at identifying inactive doping elements with a strong enough bonding strength to fluorine to displace Li from the F environments. Our results also show that capacity can be traded for cycle life depending on whether Mg is substituted for Li or for the redox metal. This design strategy should be considered in fluorinated cathodes, which will facilitate the design of optimized disordered rocksalt oxyfluoride cathodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Ablation and Heating During Atmospheric Entry and Its Effect on Airburst Risk

Large meteoroids and asteroids entering the atmosphere endure tremendous heating from the shock heated air, and thereby lose a significant fraction of their mass during atmospheric entry a process known as ablation. The predicted evolution of the asteroids mass as it passes through the atmosphere can affect both the predicted energy deposition profile relevant to an airburst event, or the residual mass that strikes the ground in the case of an impact event. This presentation is divided roughly into two parts. In the first part, an overview of traditional models for heat transfer and ablation that are historically used in the meteor physics community is presented, and the validity in the asteroid entry regime discussed. Sensitivity analyses performed using the recently developed Fragment-Cloud Model (FCM) will be presented which show illustrate the range of sizes and entry parameters for which the predicted asteroid threat is most sensitive to the models for ablation and heat transfer. The second part of the presentation shall focus on recent work done under NASAs Asteroid Threat Assessment Project (ATAP) to develop new models for heat transfer and ablation using high-fidelity numerical simulation in concert with state-of-the-art experiments. Coupled computational fluid dynamics (CFD)radiation transport simulations preformed using the state-of-the-art entry modeling tools at NASA show that, for large meteoroids and asteroids, there can significant attenuation of the heat transfer to the surface (95 in some cases) by the products of ablation. In addition to the heat transfer, new models for the material response and ablation of asteroidal material have been developed [cite]. In the current work, we present finding from recent novel experiments performed in the arc jet facility at NASA Ames, which allows us to, in part, simulate the extreme environment experienced by the asteroid during entry. Briefly, the experimental set-up was comprised of a 1.5 conical article of machined H5 chondrite, which was exposed to a high-enthalpy flow resulting in approximately 4 kWcm2 of heating to the surface. A still frame capture from high-speed video taken during this experiment can be seen in Figure 1. In this figure, we can observe some of the major mechanisms for meteoroid ablation, such as melt flow, spallation (mechanical removal of material), and vaporization. Major findings from this, and other experiments will be discussed, as well progress on utilizing the data from the experiments to inform and develop improved models for ablation.

Asteroids↗
DOE OSTI2022

Theory-guided experimental design in battery materials research

A reliable energy storage ecosystem is imperative for a renewable energy future, and continued research is needed to develop promising rechargeable battery chemistries. To this end, better theoretical and experimental understanding of electrochemical mechanisms and structure-property relationships will allow us to accelerate the development of safer batteries with higher energy densities and longer lifetimes. This Review discusses the interplay between theory and experiment in battery materials research, enabling us to not only uncover hitherto unknown mechanisms but also rationally design more promising electrode and electrolyte materials. We examine specific case studies of theory-guided experimental design in lithium-ion, lithium-metal, sodium-metal, and all-solid-state batteries. We also offer insights into how this framework can be extended to multivalent batteries. To close the loop, we outline recent efforts in coupling machine learning with high-throughput computations and experiments. Last, recommendations for effective collaboration between theorists and experimentalists are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The development of a high-resolution Eulerian radiation-hydrodynamics simulation capability for laser-driven Hohlraums

Hohlraums are hollow cylindrical cavities with high-Z material walls used to convert laser energy into uniform x-ray radiation drives for inertial confinement fusion capsule implosions and high energy density physics experiments. Credible computational modeling of hohlraums requires detailed modeling and coupling of laser physics, hydrodynamics, radiation transport, heat transport, and atomic physics. We report on improvements to Los Alamos National Laboratory's xRAGE radiation-hydrodynamics code in order to enable hohlraum modeling. xRAGE's Eulerian hydrodynamics and adaptive mesh refinement make it uniquely well suited to study the impacts of multiscale features in hohlraums. In order to provide confidence in this new modeling capability, we demonstrate xRAGE's ability to produce reasonable agreement with data from several benchmark hohlraum experiments. We also use xRAGE to perform integrated simulations of a recent layered high density carbon capsule implosion on the National Ignition Facility in order to evaluate the potential impacts of the capsule support tent, mixed cell conductivity methodologies, plasma transport, and cross-beam energy transfer (XBT). We find that XBT, seeded by plasma flows in the laser entrance hole (LEH), causes a slight decrease in energy coupling to the capsule and that all of these impact the symmetry of the x-ray drive such that they have an appreciable impact on the capsule implosion shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

CFD Modeling for Active Flow Control

This presentation describes current work under UEET Active Flow Control CFD Research Tool Development. The goal of this work is to develop computational tools for inlet active flow control design. This year s objectives were to perform CFD simulations of fully gridded vane vortex generators, micro-vortex genera- tors, and synthetic jets, and to compare flowfield results with wind tunnel tests of simple geometries with flow control devices. Comparisons are shown for a single micro-vortex generator on a flat plate, and for flow over an expansion ramp with sidewall effects. Vortex core location, pressure gradient and oil flow patterns are compared between experiment and computation. This work lays the groundwork for evaluating simplified modeling of arrays of devices, and provides the opportunity to test simple flow control device/sensor/ control loop interaction.

Buning, Pieter G.↗
DOE OSTI2022

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗